N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)prop-2-enamide

C7H8N2O4 — CID 174847714

IUPACN-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1CC(=O)N(O)C1=O
InChIInChI=1S/C7H8N2O4/c1-2-5(10)8-4-3-6(11)9(13)7(4)12/h2,4,13H,1,3H2,(H,8,10)
InChIKeyMHUSAPVZLCHLDP-UHFFFAOYSA-N
MW184.15 g/mol
LogP-1.19
Rot. Bonds2

About N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)prop-2-enamide

N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)prop-2-enamide (PubChem CID 174847714) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)prop-2-enamide
PubChem CID174847714
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC NameN-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1CC(=O)N(O)C1=O
InChIInChI=1S/C7H8N2O4/c1-2-5(10)8-4-3-6(11)9(13)7(4)12/h2,4,13H,1,3H2,(H,8,10)
InChIKeyMHUSAPVZLCHLDP-UHFFFAOYSA-N
XLogP-1.19
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)acetamide
CID 19711355
(2S)-2-(prop-2-enoylamino)butanediamide
CID 53699427
2-(Prop-2-enoylamino)butanediamide
CID 76061093
1-[3-(Methylamino)-2,5-dioxopyrrolidin-1-yl]oxypyrrole-2,5-dione
CID 137437928
N-[(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]acetamide
CID 154274339
1-hydroxypyrrolidine-2,5-dione;N-propan-2-ylprop-2-enamide
CID 155125828
[3-[3-(2,5-Dioxopyrrol-1-yl)propanoylamino]-2,5-dioxopyrrolidin-1-yl] acetate
CID 155215903
1-(1-Hydroxy-2,5-dioxopyrrolidin-1-ium-3-yl)pyrrole-2,5-dione
CID 173321852
3-(Prop-2-enylamino)pyrrolidine-2,5-dione
CID 43637829
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)prop-2-enamide
CID 65688018
N-(5-oxopyrrolidin-3-yl)prop-2-enamide
CID 106186067
(E)-N-(2,5-dioxopyrrolidin-3-yl)but-2-enamide
CID 110459684

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)prop-2-enamide?
The IUPAC name of N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)prop-2-enamide (CID 174847714) is N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)prop-2-enamide.
What is the SMILES notation for N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)prop-2-enamide?
The canonical SMILES for N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)prop-2-enamide is C=CC(=O)NC1CC(=O)N(O)C1=O.
What is the InChIKey of N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)prop-2-enamide?
The InChIKey is MHUSAPVZLCHLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-2-5(10)8-4-3-6(11)9(13)7(4)12/h2,4,13H,1,3H2,(H,8,10).
What are the key properties of N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)prop-2-enamide?
N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)prop-2-enamide has a molecular weight of 184.15 g/mol, XLogP of -1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)prop-2-enamide is sourced from PubChem (CID 174847714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).